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Propanoic acid, 3-(butylthio)-2,2-dimethyl-3-oxo-, ethyl ester
SpectraBase Compound ID Kv8T7JKvKBr
InChI InChI=1S/C11H20O3S/c1-6-8(3)15-10(13)11(4,5)9(12)14-7-2/h8H,6-7H2,1-5H3
InChIKey LYCHWQOGVHVAFA-UHFFFAOYSA-N
Mol Weight 232.34 g/mol
Molecular Formula C11H20O3S
Exact Mass 232.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPN1wwU5NbC
Name Propanoic acid, 3-(butylthio)-2,2-dimethyl-3-oxo-, ethyl ester
Alternate Name(s) Ethyl 3-(sec-butylsulfanyl)-2,2-dimethyl-3-oxopropanoate O-ethyl S-butyl dimethylmonothiomalonate
CAS Registry Number 108349-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3S
InChI InChI=1S/C11H20O3S/c1-6-8(3)15-10(13)11(4,5)9(12)14-7-2/h8H,6-7H2,1-5H3
InChIKey LYCHWQOGVHVAFA-UHFFFAOYSA-N
Molecular Weight 232.338 g/mol
SMILES C(C(SC(CC)C)=O)(C(=O)OCC)(C)C
SPLASH splash10-014u-9800000000-783226ebe51324ae9963
Source of Spectrum KC-1986-1142-0
Wiley ID 1233488